3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxidanylidene-imidazolidin-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxidanylidene-imidazolidin-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxo-imidazolidin-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxo-4-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxoimidazolidin-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazolidin-4-yl]phenyl]propionic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC(=C2)N3C(CNC3=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C=CC(=C2)N3C(CNC3=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C22H25N3O3/c1-24-11-10-17-12-19(8-7-18(17)14-24)25-20(13-23-22(25)28)16-5-2-15(3-6-16)4-9-21(26)27/h2-3,5-8,12,20H,4,9-11,13-14H2,1H3,(H,23,28)(H,26,27)